3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide

C12H13BrN4O2 — CID 106413272

IUPAC3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESCc1nc(CCNC(=O)c2ccc(Br)c(N)c2)no1
InChIInChI=1S/C12H13BrN4O2/c1-7-16-11(17-19-7)4-5-15-12(18)8-2-3-9(13)10(14)6-8/h2-3,6H,4-5,14H2,1H3,(H,15,18)
InChIKeyDWPDVLZRCVTBFZ-UHFFFAOYSA-N
MW325.17 g/mol
LogP1.70
Rot. Bonds4

About 3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide

3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide (PubChem CID 106413272) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
PubChem CID106413272
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESCc1nc(CCNC(=O)c2ccc(Br)c(N)c2)no1
InChIInChI=1S/C12H13BrN4O2/c1-7-16-11(17-19-7)4-5-15-12(18)8-2-3-9(13)10(14)6-8/h2-3,6H,4-5,14H2,1H3,(H,15,18)
InChIKeyDWPDVLZRCVTBFZ-UHFFFAOYSA-N
XLogP1.70
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 102978698
2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 114186911
4-(2-aminoethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106415935
3-chloro-4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103736148
4-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106413248
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide
CID 106422861
2-amino-4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106422845
3-amino-5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106413224
4-fluoro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103820316
3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004100
3-amino-4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 61092321
2-chloro-6-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104952518

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The IUPAC name of 3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide (CID 106413272) is 3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide is Cc1nc(CCNC(=O)c2ccc(Br)c(N)c2)no1.
What is the InChIKey of 3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The InChIKey is DWPDVLZRCVTBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-7-16-11(17-19-7)4-5-15-12(18)8-2-3-9(13)10(14)6-8/h2-3,6H,4-5,14H2,1H3,(H,15,18).
What are the key properties of 3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide has a molecular weight of 325.17 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 106413272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).